(Q105111102)

English

DL-N(Me2)Val-DL-OVal-DL-OVal-DL-Leu-DL-Asn-Sta(3xi,4xi)-DL-xiThr-DL-Abu-DL-N(Me)Phe-DL-Pro-OMe

group of stereoisomers with the chemical formula C₅₉H₉₇N₉O₁₆

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Statements

group of stereoisomers

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chemical compound

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1,187.705328024 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₉H₉₇N₉O₁₆

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canonical SMILES

CCC(NC(=O)C(NC(=O)CC(O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(OC(=O)C(OC(=O)C(C(C)C)N(C)C)C(C)C)C(C)C)C(C)O)C(=O)N(C)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)OC

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Identifiers

InChI=1S/C59H97N9O16/c1-17-38(55(77)67(15)43(28-37-22-19-18-20-23-37)56(78)68-25-21-24-42(68)57(79)82-16)61-53(75)47(36(12)69)65-46(72)30-44(70)39(26-31(2)3)62-52(74)41(29-45(60)71)63-51(73)40(27-32(4)5)64-54(76)49(34(8)9)83-59(81)50(35(10)11)84-58(80)48(33(6)7)66(13)14/h18-20,22-23,31-36,38-44,47-50,69-70H,17,21,24-30H2,1-16H3,(H2,60,71)(H,61,75)(H,62,74)(H,63,73)(H,64,76)(H,65,72)

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ICOVQVRWYNMTQP-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

ICOVQVRWYNMTQP-UHFFFAOYSA-N

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